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3-(4-bromophenyl)-1,2-oxazole

3-(4-bromophenyl)-1,2-oxazole

CAS: 13484-04-3

Formula: C9H6BrNO

SMILES: BrC1=CC=C(C=C1)C1=NOC=C1

IUPAC: 3-(4-bromophenyl)-1,2-oxazole

InChI: InChI=1S/C9H6BrNO/c10-8-3-1-7(2-4-8)9-5-6-12-11-9/h1-6H

Composition: C (48.25%), H (2.70%), Br (35.66%), N (6.25%), O (7.14%)

Molar Mass: 224.057

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 222.963277
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey BZZNOXIJKCPQNF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.89
Topological Polar Surface Area 26.03
Polarizability 19.99
Ring Count 2
Rotatable Bond Count 1

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